7-cyclohexyl-2-azabicyclo[6.4.0]dodeca-1(12),5,6,8,10-pentaene

C17H21N — CID 134966151

IUPAC7-cyclohexyl-2-azabicyclo[6.4.0]dodeca-1(12),5,6,8,10-pentaene
SMILESC1=CCCNc2ccccc2C=1C1CCCCC1
InChIInChI=1S/C17H21N/c1-2-8-14(9-3-1)15-10-6-7-13-18-17-12-5-4-11-16(15)17/h4-6,11-12,14,18H,1-3,7-9,13H2
InChIKeyGUSBIHXJLMJCBJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.62
Rot. Bonds1

About 7-cyclohexyl-2-azabicyclo[6.4.0]dodeca-1(12),5,6,8,10-pentaene

7-cyclohexyl-2-azabicyclo[6.4.0]dodeca-1(12),5,6,8,10-pentaene (PubChem CID 134966151) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 7-cyclohexyl-2-azabicyclo[6.4.0]dodeca-1(12),5,6,8,10-pentaene.

Molecular Properties

Compound Name7-cyclohexyl-2-azabicyclo[6.4.0]dodeca-1(12),5,6,8,10-pentaene
PubChem CID134966151
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name7-cyclohexyl-2-azabicyclo[6.4.0]dodeca-1(12),5,6,8,10-pentaene
SMILESC1=CCCNc2ccccc2C=1C1CCCCC1
InChIInChI=1S/C17H21N/c1-2-8-14(9-3-1)15-10-6-7-13-18-17-12-5-4-11-16(15)17/h4-6,11-12,14,18H,1-3,7-9,13H2
InChIKeyGUSBIHXJLMJCBJ-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-2-azabicyclo[6.4.0]dodeca-1(12),5,6,8,10-pentaene?
The IUPAC name of 7-cyclohexyl-2-azabicyclo[6.4.0]dodeca-1(12),5,6,8,10-pentaene (CID 134966151) is 7-cyclohexyl-2-azabicyclo[6.4.0]dodeca-1(12),5,6,8,10-pentaene.
What is the SMILES notation for 7-cyclohexyl-2-azabicyclo[6.4.0]dodeca-1(12),5,6,8,10-pentaene?
The canonical SMILES for 7-cyclohexyl-2-azabicyclo[6.4.0]dodeca-1(12),5,6,8,10-pentaene is C1=CCCNc2ccccc2C=1C1CCCCC1.
What is the InChIKey of 7-cyclohexyl-2-azabicyclo[6.4.0]dodeca-1(12),5,6,8,10-pentaene?
The InChIKey is GUSBIHXJLMJCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-2-8-14(9-3-1)15-10-6-7-13-18-17-12-5-4-11-16(15)17/h4-6,11-12,14,18H,1-3,7-9,13H2.
What are the key properties of 7-cyclohexyl-2-azabicyclo[6.4.0]dodeca-1(12),5,6,8,10-pentaene?
7-cyclohexyl-2-azabicyclo[6.4.0]dodeca-1(12),5,6,8,10-pentaene has a molecular weight of 239.36 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-2-azabicyclo[6.4.0]dodeca-1(12),5,6,8,10-pentaene is sourced from PubChem (CID 134966151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).